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PO_5255254862709997236446350 | 5255254862709997236446350797232675857653409779761728624615653639781630652981989127948827143189175760541919325132292348130502273178560545163756446092245019 | 2025-04-16T16:20:59 | DS_i4hwummq4c7j_0 | 1 | ORCA | DFT-ωB97X | -17,660.402886 | [
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